5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid

C12H11ClN2O4S2 — CID 86567825

IUPAC5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)CCc1ccccc1Cl
InChIInChI=1S/C12H11ClN2O4S2/c13-9-4-2-1-3-8(9)5-6-21(18,19)15-11-10(12(16)17)14-7-20-11/h1-4,7,15H,5-6H2,(H,16,17)
InChIKeyQKCMFPXQOXMTKH-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.48
Rot. Bonds6

About 5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid

5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 86567825) has the molecular formula C12H11ClN2O4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID86567825
Molecular FormulaC12H11ClN2O4S2
Molecular Weight346.82 g/mol
Exact Mass345.98
IUPAC Name5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)CCc1ccccc1Cl
InChIInChI=1S/C12H11ClN2O4S2/c13-9-4-2-1-3-8(9)5-6-21(18,19)15-11-10(12(16)17)14-7-20-11/h1-4,7,15H,5-6H2,(H,16,17)
InChIKeyQKCMFPXQOXMTKH-UHFFFAOYSA-N
XLogP2.48
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86566877
5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567026
5-[(2-nitrophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567421
5-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631295
5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid
CID 86566876
5-benzamido-1,3-thiazole-4-carboxylic acid
CID 69246207
1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718502
3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740639
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
5-(propylamino)-1,3-thiazole-4-carboxylic acid
CID 64631089
5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631692
2-(2-chlorophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethanesulfonamide
CID 154842547

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 86567825) is 5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NS(=O)(=O)CCc1ccccc1Cl.
What is the InChIKey of 5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QKCMFPXQOXMTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S2/c13-9-4-2-1-3-8(9)5-6-21(18,19)15-11-10(12(16)17)14-7-20-11/h1-4,7,15H,5-6H2,(H,16,17).
What are the key properties of 5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 346.82 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86567825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).